USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.023) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -165:sc= -1.69! USER MOD Single : A 41 LYS NZ :NH3+ 156:sc= 0.00763 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 102:sc= 0.26 USER MOD Single : A 50 ASN : amide:sc= -6.68! C(o=-6.7!,f=-6.9!) USER MOD Single : A 51 THR OG1 : rot 107:sc= 0.0436 USER MOD Single : A 57 ASN : amide:sc= -0.0797 X(o=-0.08,f=-0.46) USER MOD Single : A 60 CYS SG : rot 180:sc= -2.74! USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.13) USER MOD Single : A 72 LYS NZ :NH3+ -147:sc= -0.397 (180deg=-1.76!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.549 X(o=-0.55,f=-0.27) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.00162 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 8 29.573 3.858 1.733 1.00 0.00 N ATOM 2 CA HIS A 8 29.519 2.719 2.692 1.00 0.00 C ATOM 3 C HIS A 8 30.549 2.935 3.802 1.00 0.00 C ATOM 4 O HIS A 8 31.729 3.080 3.549 1.00 0.00 O ATOM 5 CB HIS A 8 29.833 1.416 1.953 1.00 0.00 C ATOM 6 CG HIS A 8 29.098 1.393 0.641 1.00 0.00 C ATOM 7 ND1 HIS A 8 29.642 0.825 -0.500 1.00 0.00 N ATOM 8 CD2 HIS A 8 27.862 1.864 0.274 1.00 0.00 C ATOM 9 CE1 HIS A 8 28.743 0.966 -1.491 1.00 0.00 C ATOM 10 NE2 HIS A 8 27.640 1.593 -1.074 1.00 0.00 N ATOM 0 HA HIS A 8 28.522 2.660 3.129 1.00 0.00 H new ATOM 0 HB2 HIS A 8 30.906 1.332 1.782 1.00 0.00 H new ATOM 0 HB3 HIS A 8 29.539 0.561 2.561 1.00 0.00 H new ATOM 0 HD2 HIS A 8 27.168 2.368 0.930 1.00 0.00 H new ATOM 0 HE1 HIS A 8 28.895 0.615 -2.501 1.00 0.00 H new ATOM 0 HE2 HIS A 8 26.813 1.824 -1.624 1.00 0.00 H new ATOM 20 N MET A 9 30.113 2.957 5.032 1.00 0.00 N ATOM 21 CA MET A 9 31.069 3.163 6.157 1.00 0.00 C ATOM 22 C MET A 9 31.288 1.837 6.889 1.00 0.00 C ATOM 23 O MET A 9 30.371 1.264 7.443 1.00 0.00 O ATOM 24 CB MET A 9 30.496 4.194 7.132 1.00 0.00 C ATOM 25 CG MET A 9 30.622 5.594 6.526 1.00 0.00 C ATOM 26 SD MET A 9 29.419 6.699 7.306 1.00 0.00 S ATOM 27 CE MET A 9 30.479 7.271 8.657 1.00 0.00 C ATOM 0 H MET A 9 29.137 2.841 5.306 1.00 0.00 H new ATOM 0 HA MET A 9 32.020 3.524 5.764 1.00 0.00 H new ATOM 0 HB2 MET A 9 29.450 3.970 7.342 1.00 0.00 H new ATOM 0 HB3 MET A 9 31.029 4.148 8.082 1.00 0.00 H new ATOM 0 HG2 MET A 9 31.632 5.976 6.673 1.00 0.00 H new ATOM 0 HG3 MET A 9 30.450 5.553 5.450 1.00 0.00 H new ATOM 0 HE1 MET A 9 29.928 7.977 9.278 1.00 0.00 H new ATOM 0 HE2 MET A 9 30.788 6.419 9.263 1.00 0.00 H new ATOM 0 HE3 MET A 9 31.361 7.762 8.245 1.00 0.00 H new ATOM 37 N VAL A 10 32.496 1.345 6.894 1.00 0.00 N ATOM 38 CA VAL A 10 32.772 0.056 7.589 1.00 0.00 C ATOM 39 C VAL A 10 33.086 0.327 9.061 1.00 0.00 C ATOM 40 O VAL A 10 33.947 1.120 9.387 1.00 0.00 O ATOM 41 CB VAL A 10 33.968 -0.632 6.930 1.00 0.00 C ATOM 42 CG1 VAL A 10 33.559 -1.161 5.554 1.00 0.00 C ATOM 43 CG2 VAL A 10 35.109 0.375 6.769 1.00 0.00 C ATOM 0 H VAL A 10 33.304 1.779 6.447 1.00 0.00 H new ATOM 0 HA VAL A 10 31.897 -0.590 7.518 1.00 0.00 H new ATOM 0 HB VAL A 10 34.299 -1.462 7.555 1.00 0.00 H new ATOM 0 HG11 VAL A 10 34.412 -1.651 5.085 1.00 0.00 H new ATOM 0 HG12 VAL A 10 32.745 -1.877 5.667 1.00 0.00 H new ATOM 0 HG13 VAL A 10 33.228 -0.332 4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 10 35.962 -0.114 6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 10 34.777 1.204 6.144 1.00 0.00 H new ATOM 0 HG23 VAL A 10 35.401 0.753 7.749 1.00 0.00 H new ATOM 53 N GLU A 11 32.395 -0.327 9.955 1.00 0.00 N ATOM 54 CA GLU A 11 32.655 -0.107 11.406 1.00 0.00 C ATOM 55 C GLU A 11 31.762 -1.036 12.230 1.00 0.00 C ATOM 56 O GLU A 11 30.917 -1.731 11.702 1.00 0.00 O ATOM 57 CB GLU A 11 32.346 1.349 11.765 1.00 0.00 C ATOM 58 CG GLU A 11 33.638 2.059 12.172 1.00 0.00 C ATOM 59 CD GLU A 11 33.302 3.412 12.801 1.00 0.00 C ATOM 60 OE1 GLU A 11 32.742 4.245 12.106 1.00 0.00 O ATOM 61 OE2 GLU A 11 33.609 3.594 13.968 1.00 0.00 O ATOM 0 H GLU A 11 31.662 -1.004 9.743 1.00 0.00 H new ATOM 0 HA GLU A 11 33.701 -0.321 11.624 1.00 0.00 H new ATOM 0 HB2 GLU A 11 31.892 1.856 10.914 1.00 0.00 H new ATOM 0 HB3 GLU A 11 31.624 1.388 12.581 1.00 0.00 H new ATOM 0 HG2 GLU A 11 34.195 1.445 12.880 1.00 0.00 H new ATOM 0 HG3 GLU A 11 34.278 2.200 11.301 1.00 0.00 H new ATOM 68 N GLU A 12 31.943 -1.056 13.523 1.00 0.00 N ATOM 69 CA GLU A 12 31.104 -1.942 14.379 1.00 0.00 C ATOM 70 C GLU A 12 30.076 -1.099 15.135 1.00 0.00 C ATOM 71 O GLU A 12 29.769 -1.359 16.282 1.00 0.00 O ATOM 72 CB GLU A 12 31.997 -2.678 15.381 1.00 0.00 C ATOM 73 CG GLU A 12 31.470 -4.099 15.587 1.00 0.00 C ATOM 74 CD GLU A 12 32.508 -4.924 16.350 1.00 0.00 C ATOM 75 OE1 GLU A 12 33.432 -4.331 16.883 1.00 0.00 O ATOM 76 OE2 GLU A 12 32.363 -6.134 16.389 1.00 0.00 O ATOM 0 H GLU A 12 32.635 -0.498 14.023 1.00 0.00 H new ATOM 0 HA GLU A 12 30.586 -2.668 13.752 1.00 0.00 H new ATOM 0 HB2 GLU A 12 33.023 -2.709 15.015 1.00 0.00 H new ATOM 0 HB3 GLU A 12 32.013 -2.144 16.331 1.00 0.00 H new ATOM 0 HG2 GLU A 12 30.532 -4.073 16.141 1.00 0.00 H new ATOM 0 HG3 GLU A 12 31.258 -4.563 14.624 1.00 0.00 H new ATOM 83 N VAL A 13 29.539 -0.092 14.504 1.00 0.00 N ATOM 84 CA VAL A 13 28.530 0.765 15.188 1.00 0.00 C ATOM 85 C VAL A 13 27.575 1.356 14.149 1.00 0.00 C ATOM 86 O VAL A 13 27.326 2.545 14.126 1.00 0.00 O ATOM 87 CB VAL A 13 29.241 1.898 15.930 1.00 0.00 C ATOM 88 CG1 VAL A 13 29.986 1.329 17.139 1.00 0.00 C ATOM 89 CG2 VAL A 13 30.241 2.575 14.989 1.00 0.00 C ATOM 0 H VAL A 13 29.755 0.175 13.544 1.00 0.00 H new ATOM 0 HA VAL A 13 27.965 0.163 15.900 1.00 0.00 H new ATOM 0 HB VAL A 13 28.505 2.628 16.267 1.00 0.00 H new ATOM 0 HG11 VAL A 13 30.493 2.137 17.667 1.00 0.00 H new ATOM 0 HG12 VAL A 13 29.276 0.846 17.810 1.00 0.00 H new ATOM 0 HG13 VAL A 13 30.722 0.598 16.802 1.00 0.00 H new ATOM 0 HG21 VAL A 13 30.748 3.383 15.517 1.00 0.00 H new ATOM 0 HG22 VAL A 13 30.976 1.844 14.652 1.00 0.00 H new ATOM 0 HG23 VAL A 13 29.712 2.981 14.127 1.00 0.00 H new ATOM 99 N LEU A 14 27.037 0.535 13.290 1.00 0.00 N ATOM 100 CA LEU A 14 26.098 1.051 12.253 1.00 0.00 C ATOM 101 C LEU A 14 25.102 -0.047 11.877 1.00 0.00 C ATOM 102 O LEU A 14 25.388 -0.910 11.072 1.00 0.00 O ATOM 103 CB LEU A 14 26.889 1.469 11.012 1.00 0.00 C ATOM 104 CG LEU A 14 26.005 2.329 10.109 1.00 0.00 C ATOM 105 CD1 LEU A 14 26.856 3.411 9.440 1.00 0.00 C ATOM 106 CD2 LEU A 14 25.364 1.449 9.034 1.00 0.00 C ATOM 0 H LEU A 14 27.206 -0.470 13.261 1.00 0.00 H new ATOM 0 HA LEU A 14 25.558 1.912 12.647 1.00 0.00 H new ATOM 0 HB2 LEU A 14 27.778 2.026 11.305 1.00 0.00 H new ATOM 0 HB3 LEU A 14 27.230 0.586 10.471 1.00 0.00 H new ATOM 0 HG LEU A 14 25.225 2.799 10.708 1.00 0.00 H new ATOM 0 HD11 LEU A 14 26.225 4.024 8.796 1.00 0.00 H new ATOM 0 HD12 LEU A 14 27.313 4.039 10.205 1.00 0.00 H new ATOM 0 HD13 LEU A 14 27.637 2.942 8.842 1.00 0.00 H new ATOM 0 HD21 LEU A 14 24.734 2.062 8.390 1.00 0.00 H new ATOM 0 HD22 LEU A 14 26.144 0.978 8.436 1.00 0.00 H new ATOM 0 HD23 LEU A 14 24.757 0.679 9.509 1.00 0.00 H new ATOM 118 N GLU A 15 23.931 -0.020 12.454 1.00 0.00 N ATOM 119 CA GLU A 15 22.916 -1.062 12.128 1.00 0.00 C ATOM 120 C GLU A 15 21.691 -0.399 11.496 1.00 0.00 C ATOM 121 O GLU A 15 21.123 -0.901 10.546 1.00 0.00 O ATOM 122 CB GLU A 15 22.500 -1.787 13.410 1.00 0.00 C ATOM 123 CG GLU A 15 22.983 -3.238 13.356 1.00 0.00 C ATOM 124 CD GLU A 15 23.257 -3.737 14.776 1.00 0.00 C ATOM 125 OE1 GLU A 15 23.684 -2.938 15.592 1.00 0.00 O ATOM 126 OE2 GLU A 15 23.035 -4.912 15.022 1.00 0.00 O ATOM 0 H GLU A 15 23.634 0.678 13.136 1.00 0.00 H new ATOM 0 HA GLU A 15 23.343 -1.780 11.427 1.00 0.00 H new ATOM 0 HB2 GLU A 15 22.924 -1.284 14.279 1.00 0.00 H new ATOM 0 HB3 GLU A 15 21.416 -1.757 13.522 1.00 0.00 H new ATOM 0 HG2 GLU A 15 22.231 -3.865 12.877 1.00 0.00 H new ATOM 0 HG3 GLU A 15 23.888 -3.309 12.753 1.00 0.00 H new ATOM 133 N GLU A 16 21.280 0.725 12.015 1.00 0.00 N ATOM 134 CA GLU A 16 20.093 1.419 11.443 1.00 0.00 C ATOM 135 C GLU A 16 20.302 1.633 9.942 1.00 0.00 C ATOM 136 O GLU A 16 21.310 2.160 9.516 1.00 0.00 O ATOM 137 CB GLU A 16 19.912 2.774 12.131 1.00 0.00 C ATOM 138 CG GLU A 16 18.679 2.727 13.035 1.00 0.00 C ATOM 139 CD GLU A 16 19.122 2.688 14.500 1.00 0.00 C ATOM 140 OE1 GLU A 16 20.216 2.214 14.755 1.00 0.00 O ATOM 141 OE2 GLU A 16 18.358 3.134 15.340 1.00 0.00 O ATOM 0 H GLU A 16 21.715 1.193 12.810 1.00 0.00 H new ATOM 0 HA GLU A 16 19.204 0.809 11.603 1.00 0.00 H new ATOM 0 HB2 GLU A 16 20.798 3.017 12.718 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.799 3.560 11.385 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.051 3.600 12.857 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.077 1.848 12.802 1.00 0.00 H new ATOM 148 N GLU A 17 19.357 1.229 9.138 1.00 0.00 N ATOM 149 CA GLU A 17 19.504 1.410 7.667 1.00 0.00 C ATOM 150 C GLU A 17 19.815 2.876 7.362 1.00 0.00 C ATOM 151 O GLU A 17 20.941 3.234 7.074 1.00 0.00 O ATOM 152 CB GLU A 17 18.200 1.011 6.971 1.00 0.00 C ATOM 153 CG GLU A 17 17.937 -0.480 7.195 1.00 0.00 C ATOM 154 CD GLU A 17 16.436 -0.713 7.368 1.00 0.00 C ATOM 155 OE1 GLU A 17 15.925 -0.394 8.428 1.00 0.00 O ATOM 156 OE2 GLU A 17 15.823 -1.209 6.437 1.00 0.00 O ATOM 0 H GLU A 17 18.490 0.782 9.436 1.00 0.00 H new ATOM 0 HA GLU A 17 20.318 0.782 7.304 1.00 0.00 H new ATOM 0 HB2 GLU A 17 17.371 1.600 7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 17 18.265 1.223 5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 17 18.310 -1.057 6.349 1.00 0.00 H new ATOM 0 HG3 GLU A 17 18.474 -0.826 8.078 1.00 0.00 H new ATOM 163 N GLU A 18 18.828 3.728 7.421 1.00 0.00 N ATOM 164 CA GLU A 18 19.070 5.169 7.134 1.00 0.00 C ATOM 165 C GLU A 18 18.362 6.025 8.187 1.00 0.00 C ATOM 166 O GLU A 18 17.643 5.522 9.028 1.00 0.00 O ATOM 167 CB GLU A 18 18.521 5.512 5.747 1.00 0.00 C ATOM 168 CG GLU A 18 17.136 4.886 5.576 1.00 0.00 C ATOM 169 CD GLU A 18 16.297 5.751 4.636 1.00 0.00 C ATOM 170 OE1 GLU A 18 16.721 6.856 4.342 1.00 0.00 O ATOM 171 OE2 GLU A 18 15.242 5.295 4.225 1.00 0.00 O ATOM 0 H GLU A 18 17.865 3.488 7.656 1.00 0.00 H new ATOM 0 HA GLU A 18 20.141 5.370 7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 18 18.460 6.594 5.626 1.00 0.00 H new ATOM 0 HB3 GLU A 18 19.196 5.142 4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 18 17.229 3.877 5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 18 16.643 4.799 6.544 1.00 0.00 H new ATOM 178 N GLU A 19 18.560 7.313 8.150 1.00 0.00 N ATOM 179 CA GLU A 19 17.899 8.198 9.149 1.00 0.00 C ATOM 180 C GLU A 19 16.411 7.851 9.234 1.00 0.00 C ATOM 181 O GLU A 19 15.936 7.353 10.235 1.00 0.00 O ATOM 182 CB GLU A 19 18.057 9.659 8.722 1.00 0.00 C ATOM 183 CG GLU A 19 17.359 10.566 9.737 1.00 0.00 C ATOM 184 CD GLU A 19 18.387 11.099 10.738 1.00 0.00 C ATOM 185 OE1 GLU A 19 19.107 10.293 11.302 1.00 0.00 O ATOM 186 OE2 GLU A 19 18.435 12.304 10.924 1.00 0.00 O ATOM 0 H GLU A 19 19.151 7.791 7.471 1.00 0.00 H new ATOM 0 HA GLU A 19 18.363 8.052 10.124 1.00 0.00 H new ATOM 0 HB2 GLU A 19 19.114 9.917 8.654 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.629 9.808 7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.871 11.395 9.224 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.580 10.012 10.260 1.00 0.00 H new ATOM 193 N GLU A 20 15.673 8.110 8.190 1.00 0.00 N ATOM 194 CA GLU A 20 14.217 7.794 8.211 1.00 0.00 C ATOM 195 C GLU A 20 13.639 7.956 6.805 1.00 0.00 C ATOM 196 O GLU A 20 14.069 8.795 6.038 1.00 0.00 O ATOM 197 CB GLU A 20 13.503 8.752 9.168 1.00 0.00 C ATOM 198 CG GLU A 20 12.401 7.998 9.918 1.00 0.00 C ATOM 199 CD GLU A 20 11.926 8.837 11.105 1.00 0.00 C ATOM 200 OE1 GLU A 20 11.701 10.022 10.915 1.00 0.00 O ATOM 201 OE2 GLU A 20 11.793 8.282 12.182 1.00 0.00 O ATOM 0 H GLU A 20 16.015 8.526 7.324 1.00 0.00 H new ATOM 0 HA GLU A 20 14.073 6.767 8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 20 14.216 9.174 9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 20 13.074 9.586 8.612 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.566 7.791 9.248 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.776 7.036 10.266 1.00 0.00 H new ATOM 208 N TYR A 21 12.666 7.159 6.458 1.00 0.00 N ATOM 209 CA TYR A 21 12.061 7.266 5.100 1.00 0.00 C ATOM 210 C TYR A 21 10.640 7.822 5.218 1.00 0.00 C ATOM 211 O TYR A 21 10.033 7.782 6.270 1.00 0.00 O ATOM 212 CB TYR A 21 12.016 5.882 4.451 1.00 0.00 C ATOM 213 CG TYR A 21 11.579 4.860 5.474 1.00 0.00 C ATOM 214 CD1 TYR A 21 10.288 4.917 6.015 1.00 0.00 C ATOM 215 CD2 TYR A 21 12.465 3.854 5.881 1.00 0.00 C ATOM 216 CE1 TYR A 21 9.883 3.968 6.963 1.00 0.00 C ATOM 217 CE2 TYR A 21 12.061 2.905 6.830 1.00 0.00 C ATOM 218 CZ TYR A 21 10.770 2.962 7.370 1.00 0.00 C ATOM 219 OH TYR A 21 10.370 2.028 8.306 1.00 0.00 O ATOM 0 H TYR A 21 12.263 6.438 7.057 1.00 0.00 H new ATOM 0 HA TYR A 21 12.663 7.935 4.485 1.00 0.00 H new ATOM 0 HB2 TYR A 21 11.325 5.886 3.608 1.00 0.00 H new ATOM 0 HB3 TYR A 21 12.998 5.621 4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 21 9.605 5.692 5.701 1.00 0.00 H new ATOM 0 HD2 TYR A 21 13.460 3.810 5.463 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.888 4.012 7.380 1.00 0.00 H new ATOM 0 HE2 TYR A 21 12.745 2.130 7.145 1.00 0.00 H new ATOM 0 HH TYR A 21 11.103 1.401 8.476 1.00 0.00 H new ATOM 229 N VAL A 22 10.104 8.339 4.146 1.00 0.00 N ATOM 230 CA VAL A 22 8.723 8.895 4.198 1.00 0.00 C ATOM 231 C VAL A 22 7.831 8.138 3.212 1.00 0.00 C ATOM 232 O VAL A 22 8.299 7.583 2.237 1.00 0.00 O ATOM 233 CB VAL A 22 8.756 10.378 3.820 1.00 0.00 C ATOM 234 CG1 VAL A 22 7.329 10.927 3.782 1.00 0.00 C ATOM 235 CG2 VAL A 22 9.570 11.150 4.861 1.00 0.00 C ATOM 0 H VAL A 22 10.563 8.400 3.237 1.00 0.00 H new ATOM 0 HA VAL A 22 8.325 8.785 5.207 1.00 0.00 H new ATOM 0 HB VAL A 22 9.216 10.493 2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.352 11.983 3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.747 10.377 3.042 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.869 10.813 4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.595 12.206 4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.109 11.035 5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.587 10.759 4.890 1.00 0.00 H new ATOM 245 N VAL A 23 6.550 8.109 3.457 1.00 0.00 N ATOM 246 CA VAL A 23 5.631 7.387 2.531 1.00 0.00 C ATOM 247 C VAL A 23 4.851 8.400 1.694 1.00 0.00 C ATOM 248 O VAL A 23 4.287 9.345 2.211 1.00 0.00 O ATOM 249 CB VAL A 23 4.653 6.536 3.345 1.00 0.00 C ATOM 250 CG1 VAL A 23 3.881 7.432 4.315 1.00 0.00 C ATOM 251 CG2 VAL A 23 3.669 5.847 2.396 1.00 0.00 C ATOM 0 H VAL A 23 6.100 8.553 4.257 1.00 0.00 H new ATOM 0 HA VAL A 23 6.212 6.742 1.871 1.00 0.00 H new ATOM 0 HB VAL A 23 5.206 5.784 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.185 6.826 4.894 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.581 7.926 4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.327 8.184 3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.971 5.240 2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.116 6.601 1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.218 5.209 1.703 1.00 0.00 H new ATOM 261 N GLU A 24 4.811 8.214 0.403 1.00 0.00 N ATOM 262 CA GLU A 24 4.067 9.167 -0.464 1.00 0.00 C ATOM 263 C GLU A 24 2.643 8.651 -0.684 1.00 0.00 C ATOM 264 O GLU A 24 1.708 9.416 -0.813 1.00 0.00 O ATOM 265 CB GLU A 24 4.778 9.293 -1.814 1.00 0.00 C ATOM 266 CG GLU A 24 6.141 9.959 -1.613 1.00 0.00 C ATOM 267 CD GLU A 24 5.986 11.478 -1.702 1.00 0.00 C ATOM 268 OE1 GLU A 24 4.877 11.928 -1.945 1.00 0.00 O ATOM 269 OE2 GLU A 24 6.978 12.167 -1.529 1.00 0.00 O ATOM 0 H GLU A 24 5.262 7.442 -0.088 1.00 0.00 H new ATOM 0 HA GLU A 24 4.030 10.143 0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.905 8.308 -2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.172 9.882 -2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.554 9.681 -0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.843 9.610 -2.370 1.00 0.00 H new ATOM 276 N LYS A 25 2.471 7.359 -0.728 1.00 0.00 N ATOM 277 CA LYS A 25 1.110 6.793 -0.938 1.00 0.00 C ATOM 278 C LYS A 25 1.225 5.293 -1.206 1.00 0.00 C ATOM 279 O LYS A 25 2.309 4.748 -1.271 1.00 0.00 O ATOM 280 CB LYS A 25 0.450 7.478 -2.137 1.00 0.00 C ATOM 281 CG LYS A 25 1.503 7.757 -3.212 1.00 0.00 C ATOM 282 CD LYS A 25 0.813 7.949 -4.564 1.00 0.00 C ATOM 283 CE LYS A 25 1.768 7.543 -5.687 1.00 0.00 C ATOM 284 NZ LYS A 25 1.940 8.685 -6.631 1.00 0.00 N ATOM 0 H LYS A 25 3.216 6.670 -0.627 1.00 0.00 H new ATOM 0 HA LYS A 25 0.503 6.960 -0.048 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.339 6.844 -2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.020 8.410 -1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.075 8.648 -2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.210 6.929 -3.267 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.095 7.348 -4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.513 8.990 -4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.733 7.253 -5.271 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.375 6.675 -6.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.590 8.409 -7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.018 8.942 -7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.333 9.501 -6.120 1.00 0.00 H new ATOM 298 N VAL A 26 0.121 4.619 -1.362 1.00 0.00 N ATOM 299 CA VAL A 26 0.179 3.155 -1.624 1.00 0.00 C ATOM 300 C VAL A 26 0.006 2.899 -3.122 1.00 0.00 C ATOM 301 O VAL A 26 -0.864 3.457 -3.761 1.00 0.00 O ATOM 302 CB VAL A 26 -0.936 2.451 -0.853 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.799 0.940 -1.033 1.00 0.00 C ATOM 304 CG2 VAL A 26 -0.823 2.795 0.633 1.00 0.00 C ATOM 0 H VAL A 26 -0.817 5.017 -1.320 1.00 0.00 H new ATOM 0 HA VAL A 26 1.144 2.766 -1.297 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.904 2.779 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.593 0.435 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.875 0.691 -2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.169 0.615 -0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.618 2.293 1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.145 2.464 1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.915 3.873 0.765 1.00 0.00 H new ATOM 314 N LEU A 27 0.830 2.060 -3.688 1.00 0.00 N ATOM 315 CA LEU A 27 0.715 1.769 -5.144 1.00 0.00 C ATOM 316 C LEU A 27 0.002 0.430 -5.347 1.00 0.00 C ATOM 317 O LEU A 27 -0.789 0.271 -6.256 1.00 0.00 O ATOM 318 CB LEU A 27 2.113 1.701 -5.762 1.00 0.00 C ATOM 319 CG LEU A 27 2.750 3.091 -5.735 1.00 0.00 C ATOM 320 CD1 LEU A 27 4.268 2.961 -5.871 1.00 0.00 C ATOM 321 CD2 LEU A 27 2.205 3.922 -6.899 1.00 0.00 C ATOM 0 H LEU A 27 1.578 1.563 -3.204 1.00 0.00 H new ATOM 0 HA LEU A 27 0.141 2.560 -5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.733 0.994 -5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.052 1.337 -6.788 1.00 0.00 H new ATOM 0 HG LEU A 27 2.511 3.582 -4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.721 3.952 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.658 2.368 -5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.508 2.471 -6.814 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.658 4.913 -6.882 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.445 3.430 -7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.123 4.016 -6.804 1.00 0.00 H new ATOM 333 N ASP A 28 0.274 -0.534 -4.511 1.00 0.00 N ATOM 334 CA ASP A 28 -0.392 -1.858 -4.664 1.00 0.00 C ATOM 335 C ASP A 28 -0.130 -2.713 -3.422 1.00 0.00 C ATOM 336 O ASP A 28 0.302 -2.224 -2.398 1.00 0.00 O ATOM 337 CB ASP A 28 0.167 -2.569 -5.898 1.00 0.00 C ATOM 338 CG ASP A 28 -0.952 -2.769 -6.922 1.00 0.00 C ATOM 339 OD1 ASP A 28 -1.368 -1.787 -7.516 1.00 0.00 O ATOM 340 OD2 ASP A 28 -1.374 -3.900 -7.095 1.00 0.00 O ATOM 0 H ASP A 28 0.927 -0.463 -3.731 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.466 -1.711 -4.782 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.974 -1.981 -6.335 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.592 -3.532 -5.615 1.00 0.00 H new ATOM 345 N ARG A 29 -0.391 -3.990 -3.506 1.00 0.00 N ATOM 346 CA ARG A 29 -0.159 -4.879 -2.333 1.00 0.00 C ATOM 347 C ARG A 29 -0.017 -6.326 -2.810 1.00 0.00 C ATOM 348 O ARG A 29 -0.248 -6.633 -3.962 1.00 0.00 O ATOM 349 CB ARG A 29 -1.345 -4.772 -1.371 1.00 0.00 C ATOM 350 CG ARG A 29 -2.607 -5.302 -2.054 1.00 0.00 C ATOM 351 CD ARG A 29 -2.941 -6.690 -1.504 1.00 0.00 C ATOM 352 NE ARG A 29 -4.419 -6.831 -1.375 1.00 0.00 N ATOM 353 CZ ARG A 29 -4.923 -7.597 -0.446 1.00 0.00 C ATOM 354 NH1 ARG A 29 -5.090 -7.135 0.763 1.00 0.00 N ATOM 355 NH2 ARG A 29 -5.259 -8.827 -0.727 1.00 0.00 N ATOM 0 H ARG A 29 -0.755 -4.455 -4.337 1.00 0.00 H new ATOM 0 HA ARG A 29 0.754 -4.575 -1.820 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.143 -5.342 -0.464 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.490 -3.734 -1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.440 -4.621 -1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.455 -5.353 -3.132 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.548 -7.460 -2.168 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.465 -6.833 -0.534 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.037 -6.329 -2.013 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.827 -6.174 0.983 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.484 -7.734 1.488 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.128 -9.188 -1.672 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.653 -9.426 -0.002 1.00 0.00 H new ATOM 369 N ARG A 30 0.360 -7.217 -1.935 1.00 0.00 N ATOM 370 CA ARG A 30 0.515 -8.641 -2.344 1.00 0.00 C ATOM 371 C ARG A 30 0.674 -9.519 -1.101 1.00 0.00 C ATOM 372 O ARG A 30 1.460 -9.229 -0.220 1.00 0.00 O ATOM 373 CB ARG A 30 1.755 -8.786 -3.231 1.00 0.00 C ATOM 374 CG ARG A 30 1.921 -10.250 -3.642 1.00 0.00 C ATOM 375 CD ARG A 30 2.919 -10.933 -2.707 1.00 0.00 C ATOM 376 NE ARG A 30 4.228 -10.224 -2.773 1.00 0.00 N ATOM 377 CZ ARG A 30 5.177 -10.677 -3.546 1.00 0.00 C ATOM 378 NH1 ARG A 30 5.934 -11.659 -3.142 1.00 0.00 N ATOM 379 NH2 ARG A 30 5.369 -10.146 -4.723 1.00 0.00 N ATOM 0 H ARG A 30 0.567 -7.021 -0.956 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.369 -8.955 -2.899 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.657 -8.158 -4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.641 -8.445 -2.695 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.959 -10.761 -3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.271 -10.312 -4.672 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.540 -10.925 -1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.044 -11.978 -2.992 1.00 0.00 H new ATOM 0 HE ARG A 30 4.382 -9.385 -2.214 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.784 -12.073 -2.222 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.676 -12.013 -3.746 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.777 -9.377 -5.038 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.111 -10.500 -5.327 1.00 0.00 H new ATOM 393 N VAL A 31 -0.063 -10.593 -1.023 1.00 0.00 N ATOM 394 CA VAL A 31 0.047 -11.490 0.162 1.00 0.00 C ATOM 395 C VAL A 31 0.959 -12.669 -0.180 1.00 0.00 C ATOM 396 O VAL A 31 1.023 -13.114 -1.309 1.00 0.00 O ATOM 397 CB VAL A 31 -1.350 -12.009 0.543 1.00 0.00 C ATOM 398 CG1 VAL A 31 -1.232 -13.308 1.349 1.00 0.00 C ATOM 399 CG2 VAL A 31 -2.065 -10.962 1.394 1.00 0.00 C ATOM 0 H VAL A 31 -0.737 -10.888 -1.729 1.00 0.00 H new ATOM 0 HA VAL A 31 0.467 -10.938 1.003 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.915 -12.201 -0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.228 -13.665 1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.723 -14.063 0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.661 -13.121 2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.055 -11.328 1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.488 -10.773 2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.163 -10.037 0.826 1.00 0.00 H new ATOM 409 N VAL A 32 1.653 -13.188 0.793 1.00 0.00 N ATOM 410 CA VAL A 32 2.547 -14.347 0.533 1.00 0.00 C ATOM 411 C VAL A 32 1.767 -15.633 0.805 1.00 0.00 C ATOM 412 O VAL A 32 1.919 -16.620 0.114 1.00 0.00 O ATOM 413 CB VAL A 32 3.764 -14.276 1.457 1.00 0.00 C ATOM 414 CG1 VAL A 32 4.823 -15.275 0.985 1.00 0.00 C ATOM 415 CG2 VAL A 32 4.347 -12.862 1.422 1.00 0.00 C ATOM 0 H VAL A 32 1.639 -12.858 1.758 1.00 0.00 H new ATOM 0 HA VAL A 32 2.889 -14.330 -0.502 1.00 0.00 H new ATOM 0 HB VAL A 32 3.462 -14.521 2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.690 -15.224 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.408 -16.283 1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.126 -15.030 -0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.214 -12.810 2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.649 -12.618 0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.594 -12.149 1.758 1.00 0.00 H new ATOM 425 N LYS A 33 0.923 -15.614 1.806 1.00 0.00 N ATOM 426 CA LYS A 33 0.109 -16.820 2.142 1.00 0.00 C ATOM 427 C LYS A 33 -0.340 -16.746 3.603 1.00 0.00 C ATOM 428 O LYS A 33 -1.274 -17.412 4.008 1.00 0.00 O ATOM 429 CB LYS A 33 0.938 -18.086 1.930 1.00 0.00 C ATOM 430 CG LYS A 33 0.539 -18.729 0.601 1.00 0.00 C ATOM 431 CD LYS A 33 1.737 -19.475 0.012 1.00 0.00 C ATOM 432 CE LYS A 33 1.898 -19.098 -1.462 1.00 0.00 C ATOM 433 NZ LYS A 33 3.076 -19.811 -2.032 1.00 0.00 N ATOM 0 H LYS A 33 0.763 -14.807 2.409 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.765 -16.850 1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.001 -17.843 1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.774 -18.785 2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.292 -19.418 0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.195 -17.964 -0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.643 -19.223 0.564 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.593 -20.551 0.110 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.997 -19.361 -2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.029 -18.020 -1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.185 -19.555 -3.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.933 -19.539 -1.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.933 -20.838 -1.951 1.00 0.00 H new ATOM 447 N GLY A 34 0.313 -15.944 4.400 1.00 0.00 N ATOM 448 CA GLY A 34 -0.082 -15.833 5.832 1.00 0.00 C ATOM 449 C GLY A 34 -0.128 -14.358 6.237 1.00 0.00 C ATOM 450 O GLY A 34 -1.046 -13.914 6.896 1.00 0.00 O ATOM 0 H GLY A 34 1.102 -15.361 4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.057 -16.294 5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.629 -16.371 6.459 1.00 0.00 H new ATOM 454 N LYS A 35 0.856 -13.596 5.845 1.00 0.00 N ATOM 455 CA LYS A 35 0.868 -12.151 6.206 1.00 0.00 C ATOM 456 C LYS A 35 0.548 -11.315 4.965 1.00 0.00 C ATOM 457 O LYS A 35 0.619 -11.792 3.849 1.00 0.00 O ATOM 458 CB LYS A 35 2.251 -11.770 6.740 1.00 0.00 C ATOM 459 CG LYS A 35 2.701 -12.803 7.774 1.00 0.00 C ATOM 460 CD LYS A 35 2.440 -12.264 9.182 1.00 0.00 C ATOM 461 CE LYS A 35 3.612 -12.632 10.094 1.00 0.00 C ATOM 462 NZ LYS A 35 3.090 -13.175 11.380 1.00 0.00 N ATOM 0 H LYS A 35 1.652 -13.912 5.291 1.00 0.00 H new ATOM 0 HA LYS A 35 0.119 -11.960 6.975 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.969 -11.723 5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.218 -10.778 7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.163 -13.739 7.626 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.761 -13.021 7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.315 -11.182 9.151 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.513 -12.681 9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.248 -13.371 9.606 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.230 -11.754 10.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.887 -13.425 12.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.501 -12.456 11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.518 -14.023 11.192 1.00 0.00 H new ATOM 476 N VAL A 36 0.196 -10.072 5.148 1.00 0.00 N ATOM 477 CA VAL A 36 -0.129 -9.211 3.977 1.00 0.00 C ATOM 478 C VAL A 36 0.960 -8.150 3.802 1.00 0.00 C ATOM 479 O VAL A 36 1.371 -7.507 4.748 1.00 0.00 O ATOM 480 CB VAL A 36 -1.476 -8.524 4.209 1.00 0.00 C ATOM 481 CG1 VAL A 36 -1.694 -7.455 3.136 1.00 0.00 C ATOM 482 CG2 VAL A 36 -2.597 -9.561 4.130 1.00 0.00 C ATOM 0 H VAL A 36 0.120 -9.616 6.057 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.183 -9.826 3.079 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.481 -8.057 5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.654 -6.965 3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.895 -6.716 3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.689 -7.922 2.151 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.557 -9.072 4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.592 -10.028 3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.442 -10.323 4.893 1.00 0.00 H new ATOM 492 N GLU A 37 1.427 -7.960 2.599 1.00 0.00 N ATOM 493 CA GLU A 37 2.485 -6.939 2.362 1.00 0.00 C ATOM 494 C GLU A 37 1.895 -5.773 1.566 1.00 0.00 C ATOM 495 O GLU A 37 0.872 -5.904 0.924 1.00 0.00 O ATOM 496 CB GLU A 37 3.635 -7.566 1.570 1.00 0.00 C ATOM 497 CG GLU A 37 3.998 -8.920 2.182 1.00 0.00 C ATOM 498 CD GLU A 37 5.487 -8.938 2.535 1.00 0.00 C ATOM 499 OE1 GLU A 37 5.954 -7.959 3.093 1.00 0.00 O ATOM 500 OE2 GLU A 37 6.132 -9.931 2.244 1.00 0.00 O ATOM 0 H GLU A 37 1.121 -8.468 1.769 1.00 0.00 H new ATOM 0 HA GLU A 37 2.860 -6.576 3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.346 -7.692 0.527 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.502 -6.905 1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.399 -9.100 3.075 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.770 -9.721 1.479 1.00 0.00 H new ATOM 507 N TYR A 38 2.528 -4.633 1.603 1.00 0.00 N ATOM 508 CA TYR A 38 1.998 -3.463 0.848 1.00 0.00 C ATOM 509 C TYR A 38 3.149 -2.745 0.141 1.00 0.00 C ATOM 510 O TYR A 38 4.155 -2.425 0.742 1.00 0.00 O ATOM 511 CB TYR A 38 1.316 -2.496 1.818 1.00 0.00 C ATOM 512 CG TYR A 38 -0.122 -2.909 2.015 1.00 0.00 C ATOM 513 CD1 TYR A 38 -1.046 -2.747 0.976 1.00 0.00 C ATOM 514 CD2 TYR A 38 -0.533 -3.455 3.239 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.382 -3.131 1.158 1.00 0.00 C ATOM 516 CE2 TYR A 38 -1.868 -3.840 3.422 1.00 0.00 C ATOM 517 CZ TYR A 38 -2.792 -3.677 2.382 1.00 0.00 C ATOM 518 OH TYR A 38 -4.107 -4.055 2.562 1.00 0.00 O ATOM 0 H TYR A 38 3.389 -4.461 2.123 1.00 0.00 H new ATOM 0 HA TYR A 38 1.276 -3.808 0.108 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.839 -2.495 2.774 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.363 -1.479 1.428 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.729 -2.326 0.033 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.179 -3.579 4.041 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.094 -3.006 0.356 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.184 -4.262 4.364 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.282 -4.187 3.517 1.00 0.00 H new ATOM 528 N LEU A 39 3.008 -2.489 -1.130 1.00 0.00 N ATOM 529 CA LEU A 39 4.092 -1.788 -1.872 1.00 0.00 C ATOM 530 C LEU A 39 3.774 -0.294 -1.940 1.00 0.00 C ATOM 531 O LEU A 39 2.957 0.141 -2.727 1.00 0.00 O ATOM 532 CB LEU A 39 4.192 -2.353 -3.289 1.00 0.00 C ATOM 533 CG LEU A 39 5.288 -1.614 -4.057 1.00 0.00 C ATOM 534 CD1 LEU A 39 6.082 -2.611 -4.901 1.00 0.00 C ATOM 535 CD2 LEU A 39 4.651 -0.565 -4.971 1.00 0.00 C ATOM 0 H LEU A 39 2.189 -2.735 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 39 5.041 -1.937 -1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.415 -3.419 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.237 -2.245 -3.803 1.00 0.00 H new ATOM 0 HG LEU A 39 5.958 -1.123 -3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.863 -2.083 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.536 -3.358 -4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.414 -3.103 -5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.432 -0.038 -5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.981 -1.056 -5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.086 0.147 -4.369 1.00 0.00 H new ATOM 547 N LEU A 40 4.410 0.495 -1.119 1.00 0.00 N ATOM 548 CA LEU A 40 4.139 1.960 -1.137 1.00 0.00 C ATOM 549 C LEU A 40 5.295 2.687 -1.827 1.00 0.00 C ATOM 550 O LEU A 40 6.339 2.118 -2.071 1.00 0.00 O ATOM 551 CB LEU A 40 4.002 2.471 0.299 1.00 0.00 C ATOM 552 CG LEU A 40 3.138 1.500 1.104 1.00 0.00 C ATOM 553 CD1 LEU A 40 4.039 0.535 1.878 1.00 0.00 C ATOM 554 CD2 LEU A 40 2.272 2.288 2.091 1.00 0.00 C ATOM 0 H LEU A 40 5.105 0.189 -0.437 1.00 0.00 H new ATOM 0 HA LEU A 40 3.214 2.150 -1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.986 2.566 0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.552 3.464 0.302 1.00 0.00 H new ATOM 0 HG LEU A 40 2.498 0.935 0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.423 -0.157 2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.658 -0.026 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.679 1.099 2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.655 1.597 2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.914 2.852 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.630 2.977 1.542 1.00 0.00 H new ATOM 566 N LYS A 41 5.115 3.941 -2.143 1.00 0.00 N ATOM 567 CA LYS A 41 6.203 4.702 -2.816 1.00 0.00 C ATOM 568 C LYS A 41 7.033 5.442 -1.765 1.00 0.00 C ATOM 569 O LYS A 41 6.642 6.482 -1.272 1.00 0.00 O ATOM 570 CB LYS A 41 5.593 5.714 -3.788 1.00 0.00 C ATOM 571 CG LYS A 41 6.652 6.152 -4.801 1.00 0.00 C ATOM 572 CD LYS A 41 6.945 7.642 -4.622 1.00 0.00 C ATOM 573 CE LYS A 41 6.218 8.441 -5.706 1.00 0.00 C ATOM 574 NZ LYS A 41 7.215 9.010 -6.656 1.00 0.00 N ATOM 0 H LYS A 41 4.262 4.470 -1.964 1.00 0.00 H new ATOM 0 HA LYS A 41 6.843 4.011 -3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.742 5.270 -4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.218 6.579 -3.241 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.564 5.572 -4.663 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.302 5.959 -5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.621 7.971 -3.635 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.018 7.822 -4.682 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.518 7.798 -6.239 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.634 9.242 -5.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.758 9.189 -7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.588 9.903 -6.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.996 8.336 -6.785 1.00 0.00 H new ATOM 588 N TRP A 42 8.174 4.914 -1.418 1.00 0.00 N ATOM 589 CA TRP A 42 9.026 5.587 -0.398 1.00 0.00 C ATOM 590 C TRP A 42 9.818 6.716 -1.060 1.00 0.00 C ATOM 591 O TRP A 42 10.590 6.494 -1.972 1.00 0.00 O ATOM 592 CB TRP A 42 9.995 4.570 0.209 1.00 0.00 C ATOM 593 CG TRP A 42 9.220 3.495 0.901 1.00 0.00 C ATOM 594 CD1 TRP A 42 9.071 2.229 0.447 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.484 3.570 2.156 1.00 0.00 C ATOM 596 NE1 TRP A 42 8.292 1.521 1.346 1.00 0.00 N ATOM 597 CE2 TRP A 42 7.907 2.304 2.416 1.00 0.00 C ATOM 598 CE3 TRP A 42 8.266 4.604 3.088 1.00 0.00 C ATOM 599 CZ2 TRP A 42 7.139 2.072 3.558 1.00 0.00 C ATOM 600 CZ3 TRP A 42 7.493 4.374 4.239 1.00 0.00 C ATOM 601 CH2 TRP A 42 6.932 3.110 4.473 1.00 0.00 C ATOM 0 H TRP A 42 8.553 4.046 -1.796 1.00 0.00 H new ATOM 0 HA TRP A 42 8.394 6.000 0.388 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.621 4.137 -0.572 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.662 5.064 0.915 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.491 1.835 -0.467 1.00 0.00 H new ATOM 0 HE1 TRP A 42 8.034 0.541 1.232 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.696 5.580 2.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 6.707 1.098 3.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.330 5.174 4.946 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.340 2.938 5.360 1.00 0.00 H new ATOM 612 N LYS A 43 9.633 7.926 -0.608 1.00 0.00 N ATOM 613 CA LYS A 43 10.375 9.068 -1.212 1.00 0.00 C ATOM 614 C LYS A 43 11.716 9.240 -0.497 1.00 0.00 C ATOM 615 O LYS A 43 11.854 8.923 0.668 1.00 0.00 O ATOM 616 CB LYS A 43 9.549 10.348 -1.063 1.00 0.00 C ATOM 617 CG LYS A 43 9.225 10.575 0.416 1.00 0.00 C ATOM 618 CD LYS A 43 9.416 12.054 0.760 1.00 0.00 C ATOM 619 CE LYS A 43 10.753 12.242 1.480 1.00 0.00 C ATOM 620 NZ LYS A 43 11.374 13.525 1.047 1.00 0.00 N ATOM 0 H LYS A 43 9.000 8.173 0.153 1.00 0.00 H new ATOM 0 HA LYS A 43 10.550 8.869 -2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.102 11.199 -1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.628 10.269 -1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.199 10.272 0.625 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.873 9.959 1.040 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.392 12.656 -0.149 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.598 12.400 1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.600 12.246 2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.419 11.409 1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.283 13.653 1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.534 13.504 0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.740 14.315 1.283 1.00 0.00 H new ATOM 634 N GLY A 44 12.706 9.742 -1.184 1.00 0.00 N ATOM 635 CA GLY A 44 14.037 9.933 -0.543 1.00 0.00 C ATOM 636 C GLY A 44 14.983 8.814 -0.977 1.00 0.00 C ATOM 637 O GLY A 44 15.840 8.387 -0.229 1.00 0.00 O ATOM 0 H GLY A 44 12.650 10.028 -2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 44 14.451 10.902 -0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.932 9.933 0.542 1.00 0.00 H new ATOM 641 N PHE A 45 14.835 8.333 -2.181 1.00 0.00 N ATOM 642 CA PHE A 45 15.728 7.240 -2.661 1.00 0.00 C ATOM 643 C PHE A 45 16.228 7.571 -4.069 1.00 0.00 C ATOM 644 O PHE A 45 17.296 8.123 -4.244 1.00 0.00 O ATOM 645 CB PHE A 45 14.950 5.923 -2.694 1.00 0.00 C ATOM 646 CG PHE A 45 15.294 5.106 -1.472 1.00 0.00 C ATOM 647 CD1 PHE A 45 16.603 4.641 -1.287 1.00 0.00 C ATOM 648 CD2 PHE A 45 14.306 4.813 -0.523 1.00 0.00 C ATOM 649 CE1 PHE A 45 16.923 3.883 -0.152 1.00 0.00 C ATOM 650 CE2 PHE A 45 14.626 4.055 0.611 1.00 0.00 C ATOM 651 CZ PHE A 45 15.934 3.590 0.796 1.00 0.00 C ATOM 0 H PHE A 45 14.135 8.649 -2.853 1.00 0.00 H new ATOM 0 HA PHE A 45 16.578 7.143 -1.986 1.00 0.00 H new ATOM 0 HB2 PHE A 45 13.879 6.122 -2.722 1.00 0.00 H new ATOM 0 HB3 PHE A 45 15.195 5.366 -3.598 1.00 0.00 H new ATOM 0 HD1 PHE A 45 17.365 4.867 -2.018 1.00 0.00 H new ATOM 0 HD2 PHE A 45 13.297 5.172 -0.666 1.00 0.00 H new ATOM 0 HE1 PHE A 45 17.932 3.525 -0.008 1.00 0.00 H new ATOM 0 HE2 PHE A 45 13.864 3.829 1.342 1.00 0.00 H new ATOM 0 HZ PHE A 45 16.180 3.005 1.670 1.00 0.00 H new ATOM 661 N SER A 46 15.467 7.236 -5.074 1.00 0.00 N ATOM 662 CA SER A 46 15.901 7.530 -6.468 1.00 0.00 C ATOM 663 C SER A 46 14.705 8.035 -7.279 1.00 0.00 C ATOM 664 O SER A 46 14.811 8.977 -8.038 1.00 0.00 O ATOM 665 CB SER A 46 16.451 6.258 -7.110 1.00 0.00 C ATOM 666 OG SER A 46 15.372 5.477 -7.606 1.00 0.00 O ATOM 0 H SER A 46 14.563 6.771 -4.990 1.00 0.00 H new ATOM 0 HA SER A 46 16.678 8.294 -6.453 1.00 0.00 H new ATOM 0 HB2 SER A 46 17.134 6.512 -7.921 1.00 0.00 H new ATOM 0 HB3 SER A 46 17.023 5.686 -6.379 1.00 0.00 H new ATOM 0 HG SER A 46 15.307 5.588 -8.578 1.00 0.00 H new ATOM 672 N ASP A 47 13.568 7.414 -7.126 1.00 0.00 N ATOM 673 CA ASP A 47 12.369 7.859 -7.889 1.00 0.00 C ATOM 674 C ASP A 47 11.186 6.946 -7.557 1.00 0.00 C ATOM 675 O ASP A 47 10.074 7.399 -7.372 1.00 0.00 O ATOM 676 CB ASP A 47 12.664 7.787 -9.389 1.00 0.00 C ATOM 677 CG ASP A 47 13.466 6.520 -9.691 1.00 0.00 C ATOM 678 OD1 ASP A 47 12.852 5.478 -9.849 1.00 0.00 O ATOM 679 OD2 ASP A 47 14.681 6.614 -9.759 1.00 0.00 O ATOM 0 H ASP A 47 13.418 6.618 -6.506 1.00 0.00 H new ATOM 0 HA ASP A 47 12.124 8.885 -7.616 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.732 7.783 -9.954 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.224 8.668 -9.703 1.00 0.00 H new ATOM 684 N GLU A 48 11.416 5.665 -7.480 1.00 0.00 N ATOM 685 CA GLU A 48 10.304 4.727 -7.160 1.00 0.00 C ATOM 686 C GLU A 48 10.864 3.496 -6.448 1.00 0.00 C ATOM 687 O GLU A 48 10.766 2.387 -6.935 1.00 0.00 O ATOM 688 CB GLU A 48 9.608 4.297 -8.453 1.00 0.00 C ATOM 689 CG GLU A 48 10.657 3.870 -9.480 1.00 0.00 C ATOM 690 CD GLU A 48 10.317 2.475 -10.010 1.00 0.00 C ATOM 691 OE1 GLU A 48 9.420 2.378 -10.830 1.00 0.00 O ATOM 692 OE2 GLU A 48 10.959 1.529 -9.584 1.00 0.00 O ATOM 0 H GLU A 48 12.326 5.227 -7.625 1.00 0.00 H new ATOM 0 HA GLU A 48 9.585 5.226 -6.511 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.923 3.473 -8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.011 5.119 -8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.688 4.585 -10.302 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.647 3.866 -9.024 1.00 0.00 H new ATOM 699 N ASP A 49 11.447 3.679 -5.295 1.00 0.00 N ATOM 700 CA ASP A 49 12.008 2.518 -4.552 1.00 0.00 C ATOM 701 C ASP A 49 10.933 1.952 -3.625 1.00 0.00 C ATOM 702 O ASP A 49 11.140 1.790 -2.438 1.00 0.00 O ATOM 703 CB ASP A 49 13.211 2.974 -3.721 1.00 0.00 C ATOM 704 CG ASP A 49 14.309 1.911 -3.784 1.00 0.00 C ATOM 705 OD1 ASP A 49 14.266 0.994 -2.982 1.00 0.00 O ATOM 706 OD2 ASP A 49 15.177 2.034 -4.634 1.00 0.00 O ATOM 0 H ASP A 49 11.559 4.583 -4.836 1.00 0.00 H new ATOM 0 HA ASP A 49 12.328 1.751 -5.257 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.588 3.924 -4.099 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.910 3.140 -2.687 1.00 0.00 H new ATOM 711 N ASN A 50 9.779 1.657 -4.158 1.00 0.00 N ATOM 712 CA ASN A 50 8.682 1.109 -3.313 1.00 0.00 C ATOM 713 C ASN A 50 9.194 -0.096 -2.524 1.00 0.00 C ATOM 714 O ASN A 50 10.130 -0.761 -2.923 1.00 0.00 O ATOM 715 CB ASN A 50 7.515 0.676 -4.204 1.00 0.00 C ATOM 716 CG ASN A 50 7.307 1.705 -5.317 1.00 0.00 C ATOM 717 OD1 ASN A 50 6.743 1.397 -6.347 1.00 0.00 O ATOM 718 ND2 ASN A 50 7.743 2.925 -5.151 1.00 0.00 N ATOM 0 H ASN A 50 9.549 1.772 -5.145 1.00 0.00 H new ATOM 0 HA ASN A 50 8.343 1.879 -2.620 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.718 -0.304 -4.635 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.607 0.581 -3.609 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.610 3.619 -5.887 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.217 3.184 -4.286 1.00 0.00 H new ATOM 725 N THR A 51 8.585 -0.384 -1.406 1.00 0.00 N ATOM 726 CA THR A 51 9.033 -1.545 -0.590 1.00 0.00 C ATOM 727 C THR A 51 7.811 -2.280 -0.037 1.00 0.00 C ATOM 728 O THR A 51 6.733 -1.725 0.062 1.00 0.00 O ATOM 729 CB THR A 51 9.900 -1.051 0.572 1.00 0.00 C ATOM 730 OG1 THR A 51 10.593 0.124 0.175 1.00 0.00 O ATOM 731 CG2 THR A 51 10.907 -2.134 0.959 1.00 0.00 C ATOM 0 H THR A 51 7.796 0.136 -1.023 1.00 0.00 H new ATOM 0 HA THR A 51 9.615 -2.223 -1.214 1.00 0.00 H new ATOM 0 HB THR A 51 9.266 -0.828 1.430 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.196 0.903 0.617 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.522 -1.780 1.786 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.374 -3.035 1.263 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.544 -2.361 0.104 1.00 0.00 H new ATOM 739 N TRP A 52 7.968 -3.524 0.324 1.00 0.00 N ATOM 740 CA TRP A 52 6.817 -4.294 0.871 1.00 0.00 C ATOM 741 C TRP A 52 6.910 -4.337 2.398 1.00 0.00 C ATOM 742 O TRP A 52 7.943 -4.646 2.957 1.00 0.00 O ATOM 743 CB TRP A 52 6.850 -5.721 0.319 1.00 0.00 C ATOM 744 CG TRP A 52 6.821 -5.679 -1.175 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.907 -5.526 -1.971 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.675 -5.787 -2.068 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.496 -5.534 -3.289 1.00 0.00 N ATOM 748 CE2 TRP A 52 6.137 -5.692 -3.400 1.00 0.00 C ATOM 749 CE3 TRP A 52 4.292 -5.956 -1.855 1.00 0.00 C ATOM 750 CZ2 TRP A 52 5.271 -5.761 -4.482 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.410 -6.028 -2.949 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.900 -5.930 -4.261 1.00 0.00 C ATOM 0 H TRP A 52 8.845 -4.041 0.263 1.00 0.00 H new ATOM 0 HA TRP A 52 5.885 -3.811 0.577 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.749 -6.234 0.662 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.997 -6.287 0.694 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.926 -5.416 -1.631 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.126 -5.434 -4.085 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.908 -6.031 -0.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.653 -5.685 -5.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.352 -6.159 -2.779 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.220 -5.985 -5.098 1.00 0.00 H new ATOM 763 N GLU A 53 5.838 -4.030 3.076 1.00 0.00 N ATOM 764 CA GLU A 53 5.868 -4.055 4.565 1.00 0.00 C ATOM 765 C GLU A 53 4.645 -4.812 5.089 1.00 0.00 C ATOM 766 O GLU A 53 3.653 -4.940 4.396 1.00 0.00 O ATOM 767 CB GLU A 53 5.847 -2.621 5.100 1.00 0.00 C ATOM 768 CG GLU A 53 7.275 -2.174 5.421 1.00 0.00 C ATOM 769 CD GLU A 53 7.250 -0.757 5.994 1.00 0.00 C ATOM 770 OE1 GLU A 53 6.302 -0.042 5.713 1.00 0.00 O ATOM 771 OE2 GLU A 53 8.180 -0.410 6.705 1.00 0.00 O ATOM 0 H GLU A 53 4.944 -3.763 2.663 1.00 0.00 H new ATOM 0 HA GLU A 53 6.776 -4.556 4.901 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.403 -1.953 4.362 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.227 -2.565 5.995 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.729 -2.859 6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.887 -2.202 4.520 1.00 0.00 H new ATOM 778 N PRO A 54 4.753 -5.292 6.301 1.00 0.00 N ATOM 779 CA PRO A 54 3.671 -6.046 6.957 1.00 0.00 C ATOM 780 C PRO A 54 2.595 -5.089 7.477 1.00 0.00 C ATOM 781 O PRO A 54 2.886 -4.111 8.135 1.00 0.00 O ATOM 782 CB PRO A 54 4.380 -6.755 8.115 1.00 0.00 C ATOM 783 CG PRO A 54 5.665 -5.941 8.402 1.00 0.00 C ATOM 784 CD PRO A 54 5.966 -5.128 7.128 1.00 0.00 C ATOM 0 HA PRO A 54 3.162 -6.740 6.288 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.740 -6.795 8.997 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.623 -7.784 7.850 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.522 -5.281 9.258 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.497 -6.603 8.645 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.152 -4.079 7.359 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.852 -5.503 6.615 1.00 0.00 H new ATOM 792 N GLU A 55 1.353 -5.365 7.187 1.00 0.00 N ATOM 793 CA GLU A 55 0.260 -4.472 7.664 1.00 0.00 C ATOM 794 C GLU A 55 0.123 -4.598 9.183 1.00 0.00 C ATOM 795 O GLU A 55 -0.598 -3.853 9.815 1.00 0.00 O ATOM 796 CB GLU A 55 -1.057 -4.875 6.998 1.00 0.00 C ATOM 797 CG GLU A 55 -1.427 -6.299 7.420 1.00 0.00 C ATOM 798 CD GLU A 55 -2.759 -6.691 6.779 1.00 0.00 C ATOM 799 OE1 GLU A 55 -3.043 -6.198 5.700 1.00 0.00 O ATOM 800 OE2 GLU A 55 -3.473 -7.479 7.378 1.00 0.00 O ATOM 0 H GLU A 55 1.048 -6.170 6.640 1.00 0.00 H new ATOM 0 HA GLU A 55 0.497 -3.440 7.405 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.848 -4.182 7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.961 -4.819 5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.646 -6.995 7.115 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.502 -6.360 8.506 1.00 0.00 H new ATOM 807 N GLU A 56 0.810 -5.538 9.774 1.00 0.00 N ATOM 808 CA GLU A 56 0.717 -5.710 11.252 1.00 0.00 C ATOM 809 C GLU A 56 1.775 -4.841 11.934 1.00 0.00 C ATOM 810 O GLU A 56 2.060 -4.996 13.105 1.00 0.00 O ATOM 811 CB GLU A 56 0.955 -7.179 11.609 1.00 0.00 C ATOM 812 CG GLU A 56 -0.176 -8.034 11.034 1.00 0.00 C ATOM 813 CD GLU A 56 -1.081 -8.516 12.170 1.00 0.00 C ATOM 814 OE1 GLU A 56 -0.920 -8.028 13.277 1.00 0.00 O ATOM 815 OE2 GLU A 56 -1.919 -9.365 11.914 1.00 0.00 O ATOM 0 H GLU A 56 1.430 -6.193 9.298 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.274 -5.409 11.592 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.914 -7.510 11.211 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.001 -7.298 12.691 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.755 -7.454 10.315 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.237 -8.888 10.497 1.00 0.00 H new ATOM 822 N ASN A 57 2.361 -3.925 11.210 1.00 0.00 N ATOM 823 CA ASN A 57 3.400 -3.048 11.818 1.00 0.00 C ATOM 824 C ASN A 57 3.280 -1.638 11.236 1.00 0.00 C ATOM 825 O ASN A 57 3.426 -0.654 11.933 1.00 0.00 O ATOM 826 CB ASN A 57 4.789 -3.611 11.509 1.00 0.00 C ATOM 827 CG ASN A 57 5.063 -4.817 12.409 1.00 0.00 C ATOM 828 OD1 ASN A 57 4.641 -5.918 12.114 1.00 0.00 O ATOM 829 ND2 ASN A 57 5.757 -4.655 13.502 1.00 0.00 N ATOM 0 H ASN A 57 2.165 -3.747 10.225 1.00 0.00 H new ATOM 0 HA ASN A 57 3.256 -3.010 12.898 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.849 -3.905 10.461 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.547 -2.845 11.669 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.946 -5.453 14.109 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.111 -3.731 13.749 1.00 0.00 H new ATOM 836 N LEU A 58 3.014 -1.531 9.962 1.00 0.00 N ATOM 837 CA LEU A 58 2.884 -0.184 9.338 1.00 0.00 C ATOM 838 C LEU A 58 1.771 0.596 10.041 1.00 0.00 C ATOM 839 O LEU A 58 0.995 0.045 10.797 1.00 0.00 O ATOM 840 CB LEU A 58 2.539 -0.340 7.856 1.00 0.00 C ATOM 841 CG LEU A 58 3.797 -0.123 7.012 1.00 0.00 C ATOM 842 CD1 LEU A 58 3.448 -0.263 5.529 1.00 0.00 C ATOM 843 CD2 LEU A 58 4.351 1.279 7.275 1.00 0.00 C ATOM 0 H LEU A 58 2.881 -2.318 9.327 1.00 0.00 H new ATOM 0 HA LEU A 58 3.826 0.356 9.437 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.130 -1.333 7.670 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.770 0.379 7.573 1.00 0.00 H new ATOM 0 HG LEU A 58 4.547 -0.867 7.280 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.344 -0.108 4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.053 -1.261 5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.698 0.481 5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.247 1.435 6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.601 2.023 7.007 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.600 1.379 8.331 1.00 0.00 H new ATOM 855 N ASP A 59 1.686 1.876 9.798 1.00 0.00 N ATOM 856 CA ASP A 59 0.621 2.688 10.452 1.00 0.00 C ATOM 857 C ASP A 59 -0.064 3.568 9.406 1.00 0.00 C ATOM 858 O ASP A 59 -0.018 4.781 9.472 1.00 0.00 O ATOM 859 CB ASP A 59 1.246 3.574 11.532 1.00 0.00 C ATOM 860 CG ASP A 59 1.822 2.696 12.644 1.00 0.00 C ATOM 861 OD1 ASP A 59 1.798 1.486 12.488 1.00 0.00 O ATOM 862 OD2 ASP A 59 2.275 3.249 13.633 1.00 0.00 O ATOM 0 H ASP A 59 2.307 2.393 9.176 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.114 2.024 10.906 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.032 4.193 11.099 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.496 4.251 11.941 1.00 0.00 H new ATOM 867 N CYS A 60 -0.702 2.968 8.437 1.00 0.00 N ATOM 868 CA CYS A 60 -1.388 3.771 7.388 1.00 0.00 C ATOM 869 C CYS A 60 -2.646 3.033 6.922 1.00 0.00 C ATOM 870 O CYS A 60 -2.689 2.517 5.822 1.00 0.00 O ATOM 871 CB CYS A 60 -0.445 3.972 6.200 1.00 0.00 C ATOM 872 SG CYS A 60 0.050 5.712 6.111 1.00 0.00 S ATOM 0 H CYS A 60 -0.777 1.957 8.328 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.667 4.742 7.798 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.435 3.338 6.309 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.940 3.676 5.275 1.00 0.00 H new ATOM 0 HG CYS A 60 0.853 5.884 5.103 1.00 0.00 H new ATOM 878 N PRO A 61 -3.637 3.007 7.778 1.00 0.00 N ATOM 879 CA PRO A 61 -4.916 2.341 7.488 1.00 0.00 C ATOM 880 C PRO A 61 -5.776 3.217 6.571 1.00 0.00 C ATOM 881 O PRO A 61 -6.883 2.864 6.218 1.00 0.00 O ATOM 882 CB PRO A 61 -5.564 2.191 8.867 1.00 0.00 C ATOM 883 CG PRO A 61 -4.909 3.261 9.774 1.00 0.00 C ATOM 884 CD PRO A 61 -3.570 3.639 9.111 1.00 0.00 C ATOM 0 HA PRO A 61 -4.798 1.387 6.974 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.642 2.339 8.808 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.401 1.190 9.266 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.554 4.134 9.871 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.747 2.871 10.779 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.454 4.720 9.034 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.722 3.268 9.686 1.00 0.00 H new ATOM 892 N ASP A 62 -5.269 4.354 6.179 1.00 0.00 N ATOM 893 CA ASP A 62 -6.052 5.247 5.283 1.00 0.00 C ATOM 894 C ASP A 62 -5.773 4.866 3.830 1.00 0.00 C ATOM 895 O ASP A 62 -6.667 4.810 3.010 1.00 0.00 O ATOM 896 CB ASP A 62 -5.636 6.701 5.520 1.00 0.00 C ATOM 897 CG ASP A 62 -5.405 6.930 7.015 1.00 0.00 C ATOM 898 OD1 ASP A 62 -6.358 6.801 7.766 1.00 0.00 O ATOM 899 OD2 ASP A 62 -4.282 7.229 7.382 1.00 0.00 O ATOM 0 H ASP A 62 -4.347 4.702 6.441 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.116 5.138 5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.727 6.925 4.962 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.410 7.376 5.153 1.00 0.00 H new ATOM 904 N LEU A 63 -4.539 4.594 3.507 1.00 0.00 N ATOM 905 CA LEU A 63 -4.209 4.209 2.110 1.00 0.00 C ATOM 906 C LEU A 63 -4.490 2.719 1.923 1.00 0.00 C ATOM 907 O LEU A 63 -4.751 2.258 0.830 1.00 0.00 O ATOM 908 CB LEU A 63 -2.732 4.488 1.832 1.00 0.00 C ATOM 909 CG LEU A 63 -2.392 5.916 2.256 1.00 0.00 C ATOM 910 CD1 LEU A 63 -1.861 5.911 3.691 1.00 0.00 C ATOM 911 CD2 LEU A 63 -1.323 6.484 1.321 1.00 0.00 C ATOM 0 H LEU A 63 -3.748 4.622 4.150 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.819 4.790 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.109 3.778 2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.519 4.352 0.772 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.289 6.533 2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.619 6.930 3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.621 5.506 4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.964 5.294 3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.080 7.503 1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.427 5.866 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.700 6.489 0.298 1.00 0.00 H new ATOM 923 N ILE A 64 -4.443 1.962 2.984 1.00 0.00 N ATOM 924 CA ILE A 64 -4.716 0.505 2.868 1.00 0.00 C ATOM 925 C ILE A 64 -6.216 0.298 2.665 1.00 0.00 C ATOM 926 O ILE A 64 -6.641 -0.523 1.875 1.00 0.00 O ATOM 927 CB ILE A 64 -4.270 -0.205 4.148 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.740 -0.245 4.202 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.816 -1.634 4.156 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.276 -0.124 5.655 1.00 0.00 C ATOM 0 H ILE A 64 -4.227 2.291 3.925 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.167 0.093 2.021 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.652 0.335 5.014 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.375 -1.176 3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.323 0.568 3.607 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.498 -2.140 5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.905 -1.608 4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.434 -2.174 3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.187 -0.153 5.693 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.629 0.819 6.072 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.681 -0.952 6.236 1.00 0.00 H new ATOM 942 N ALA A 65 -7.024 1.045 3.368 1.00 0.00 N ATOM 943 CA ALA A 65 -8.498 0.904 3.216 1.00 0.00 C ATOM 944 C ALA A 65 -8.991 1.860 2.127 1.00 0.00 C ATOM 945 O ALA A 65 -10.157 1.878 1.787 1.00 0.00 O ATOM 946 CB ALA A 65 -9.182 1.244 4.541 1.00 0.00 C ATOM 0 H ALA A 65 -6.724 1.749 4.043 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.739 -0.122 2.936 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.261 1.141 4.430 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.830 0.564 5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.942 2.270 4.821 1.00 0.00 H new ATOM 952 N GLU A 66 -8.113 2.653 1.575 1.00 0.00 N ATOM 953 CA GLU A 66 -8.535 3.603 0.507 1.00 0.00 C ATOM 954 C GLU A 66 -8.079 3.068 -0.849 1.00 0.00 C ATOM 955 O GLU A 66 -8.633 3.400 -1.879 1.00 0.00 O ATOM 956 CB GLU A 66 -7.897 4.972 0.757 1.00 0.00 C ATOM 957 CG GLU A 66 -8.304 5.936 -0.360 1.00 0.00 C ATOM 958 CD GLU A 66 -7.670 7.304 -0.110 1.00 0.00 C ATOM 959 OE1 GLU A 66 -7.551 7.679 1.045 1.00 0.00 O ATOM 960 OE2 GLU A 66 -7.311 7.955 -1.078 1.00 0.00 O ATOM 0 H GLU A 66 -7.123 2.684 1.817 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.620 3.705 0.516 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.216 5.363 1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.812 4.878 0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.983 5.546 -1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.389 6.028 -0.398 1.00 0.00 H new ATOM 967 N PHE A 67 -7.074 2.238 -0.857 1.00 0.00 N ATOM 968 CA PHE A 67 -6.580 1.675 -2.143 1.00 0.00 C ATOM 969 C PHE A 67 -7.221 0.306 -2.369 1.00 0.00 C ATOM 970 O PHE A 67 -7.340 -0.159 -3.485 1.00 0.00 O ATOM 971 CB PHE A 67 -5.058 1.527 -2.082 1.00 0.00 C ATOM 972 CG PHE A 67 -4.583 0.684 -3.242 1.00 0.00 C ATOM 973 CD1 PHE A 67 -4.453 1.254 -4.516 1.00 0.00 C ATOM 974 CD2 PHE A 67 -4.272 -0.668 -3.044 1.00 0.00 C ATOM 975 CE1 PHE A 67 -4.013 0.471 -5.591 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.833 -1.450 -4.119 1.00 0.00 C ATOM 977 CZ PHE A 67 -3.702 -0.881 -5.393 1.00 0.00 C ATOM 0 H PHE A 67 -6.572 1.925 -0.026 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.844 2.342 -2.964 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.586 2.509 -2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.765 1.064 -1.139 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.692 2.296 -4.669 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.371 -1.107 -2.062 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.913 0.910 -6.573 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.595 -2.492 -3.966 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.362 -1.484 -6.222 1.00 0.00 H new ATOM 987 N LEU A 68 -7.636 -0.345 -1.316 1.00 0.00 N ATOM 988 CA LEU A 68 -8.270 -1.681 -1.473 1.00 0.00 C ATOM 989 C LEU A 68 -9.716 -1.505 -1.946 1.00 0.00 C ATOM 990 O LEU A 68 -10.385 -2.455 -2.298 1.00 0.00 O ATOM 991 CB LEU A 68 -8.234 -2.428 -0.130 1.00 0.00 C ATOM 992 CG LEU A 68 -9.367 -1.950 0.786 1.00 0.00 C ATOM 993 CD1 LEU A 68 -10.676 -2.642 0.397 1.00 0.00 C ATOM 994 CD2 LEU A 68 -9.026 -2.304 2.235 1.00 0.00 C ATOM 0 H LEU A 68 -7.563 -0.008 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.723 -2.264 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.326 -3.500 -0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.273 -2.265 0.357 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.483 -0.871 0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.477 -2.299 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.922 -2.400 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.561 -3.721 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.829 -1.966 2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.911 -3.384 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.095 -1.814 2.520 1.00 0.00 H new ATOM 1006 N GLN A 69 -10.202 -0.292 -1.960 1.00 0.00 N ATOM 1007 CA GLN A 69 -11.601 -0.055 -2.411 1.00 0.00 C ATOM 1008 C GLN A 69 -11.589 0.447 -3.857 1.00 0.00 C ATOM 1009 O GLN A 69 -12.560 0.322 -4.576 1.00 0.00 O ATOM 1010 CB GLN A 69 -12.256 0.995 -1.511 1.00 0.00 C ATOM 1011 CG GLN A 69 -13.746 0.683 -1.362 1.00 0.00 C ATOM 1012 CD GLN A 69 -13.966 -0.171 -0.112 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -14.165 -1.367 -0.206 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -13.939 0.394 1.064 1.00 0.00 N ATOM 0 H GLN A 69 -9.689 0.544 -1.678 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.166 -0.985 -2.353 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.776 1.001 -0.533 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -12.123 1.989 -1.938 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.317 1.609 -1.288 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.108 0.155 -2.244 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -13.772 1.397 1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.085 -0.167 1.903 1.00 0.00 H new ATOM 1023 N SER A 70 -10.495 1.012 -4.289 1.00 0.00 N ATOM 1024 CA SER A 70 -10.420 1.519 -5.687 1.00 0.00 C ATOM 1025 C SER A 70 -10.666 0.366 -6.660 1.00 0.00 C ATOM 1026 O SER A 70 -11.262 0.537 -7.704 1.00 0.00 O ATOM 1027 CB SER A 70 -9.034 2.113 -5.940 1.00 0.00 C ATOM 1028 OG SER A 70 -9.093 3.525 -5.784 1.00 0.00 O ATOM 0 H SER A 70 -9.650 1.144 -3.733 1.00 0.00 H new ATOM 0 HA SER A 70 -11.177 2.289 -5.836 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.311 1.688 -5.244 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.695 1.860 -6.945 1.00 0.00 H new ATOM 0 HG SER A 70 -8.206 3.909 -5.944 1.00 0.00 H new ATOM 1034 N GLN A 71 -10.212 -0.813 -6.325 1.00 0.00 N ATOM 1035 CA GLN A 71 -10.421 -1.976 -7.230 1.00 0.00 C ATOM 1036 C GLN A 71 -11.901 -2.071 -7.605 1.00 0.00 C ATOM 1037 O GLN A 71 -12.251 -2.447 -8.705 1.00 0.00 O ATOM 1038 CB GLN A 71 -9.992 -3.261 -6.518 1.00 0.00 C ATOM 1039 CG GLN A 71 -8.906 -3.961 -7.334 1.00 0.00 C ATOM 1040 CD GLN A 71 -9.359 -5.382 -7.675 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -8.589 -6.317 -7.576 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -10.584 -5.585 -8.075 1.00 0.00 N ATOM 0 H GLN A 71 -9.706 -1.019 -5.464 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.825 -1.845 -8.133 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.619 -3.029 -5.521 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.849 -3.922 -6.392 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.707 -3.402 -8.248 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.974 -3.991 -6.769 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.230 -4.800 -8.158 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.896 -6.529 -8.305 1.00 0.00 H new ATOM 1051 N LYS A 72 -12.773 -1.731 -6.696 1.00 0.00 N ATOM 1052 CA LYS A 72 -14.230 -1.801 -6.998 1.00 0.00 C ATOM 1053 C LYS A 72 -14.548 -0.899 -8.192 1.00 0.00 C ATOM 1054 O LYS A 72 -15.192 -1.308 -9.138 1.00 0.00 O ATOM 1055 CB LYS A 72 -15.027 -1.329 -5.779 1.00 0.00 C ATOM 1056 CG LYS A 72 -14.829 -2.313 -4.625 1.00 0.00 C ATOM 1057 CD LYS A 72 -15.805 -1.977 -3.495 1.00 0.00 C ATOM 1058 CE LYS A 72 -17.087 -2.794 -3.668 1.00 0.00 C ATOM 1059 NZ LYS A 72 -17.994 -2.099 -4.624 1.00 0.00 N ATOM 0 H LYS A 72 -12.539 -1.408 -5.757 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.502 -2.829 -7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.700 -0.333 -5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.085 -1.255 -6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.994 -3.333 -4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.803 -2.261 -4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.349 -2.196 -2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.036 -0.912 -3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.848 -3.792 -4.037 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.583 -2.920 -2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.983 -2.273 -4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.804 -1.077 -4.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.829 -2.462 -5.585 1.00 0.00 H new ATOM 1073 N THR A 73 -14.100 0.326 -8.157 1.00 0.00 N ATOM 1074 CA THR A 73 -14.377 1.254 -9.288 1.00 0.00 C ATOM 1075 C THR A 73 -13.850 2.649 -8.945 1.00 0.00 C ATOM 1076 O THR A 73 -14.366 3.320 -8.074 1.00 0.00 O ATOM 1077 CB THR A 73 -15.887 1.325 -9.531 1.00 0.00 C ATOM 1078 OG1 THR A 73 -16.181 2.446 -10.352 1.00 0.00 O ATOM 1079 CG2 THR A 73 -16.614 1.465 -8.192 1.00 0.00 C ATOM 0 H THR A 73 -13.554 0.724 -7.393 1.00 0.00 H new ATOM 0 HA THR A 73 -13.880 0.889 -10.187 1.00 0.00 H new ATOM 0 HB THR A 73 -16.219 0.414 -10.029 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.147 2.492 -10.510 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.689 1.516 -8.365 1.00 0.00 H new ATOM 0 HG22 THR A 73 -16.388 0.604 -7.563 1.00 0.00 H new ATOM 0 HG23 THR A 73 -16.284 2.376 -7.692 1.00 0.00 H new ATOM 1087 N ALA A 74 -12.826 3.091 -9.624 1.00 0.00 N ATOM 1088 CA ALA A 74 -12.269 4.442 -9.334 1.00 0.00 C ATOM 1089 C ALA A 74 -11.567 4.982 -10.582 1.00 0.00 C ATOM 1090 O ALA A 74 -11.668 6.148 -10.907 1.00 0.00 O ATOM 1091 CB ALA A 74 -11.263 4.344 -8.186 1.00 0.00 C ATOM 0 H ALA A 74 -12.352 2.575 -10.366 1.00 0.00 H new ATOM 0 HA ALA A 74 -13.078 5.115 -9.051 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.856 5.332 -7.974 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.762 3.959 -7.297 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.454 3.671 -8.468 1.00 0.00 H new ATOM 1097 N HIS A 75 -10.854 4.143 -11.283 1.00 0.00 N ATOM 1098 CA HIS A 75 -10.148 4.610 -12.509 1.00 0.00 C ATOM 1099 C HIS A 75 -11.141 4.690 -13.671 1.00 0.00 C ATOM 1100 O HIS A 75 -10.856 5.263 -14.703 1.00 0.00 O ATOM 1101 CB HIS A 75 -9.031 3.624 -12.860 1.00 0.00 C ATOM 1102 CG HIS A 75 -7.743 4.083 -12.235 1.00 0.00 C ATOM 1103 ND1 HIS A 75 -6.714 3.203 -11.932 1.00 0.00 N ATOM 1104 CD2 HIS A 75 -7.300 5.324 -11.850 1.00 0.00 C ATOM 1105 CE1 HIS A 75 -5.714 3.921 -11.389 1.00 0.00 C ATOM 1106 NE2 HIS A 75 -6.019 5.220 -11.316 1.00 0.00 N ATOM 0 H HIS A 75 -10.730 3.155 -11.060 1.00 0.00 H new ATOM 0 HA HIS A 75 -9.720 5.596 -12.329 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -9.286 2.627 -12.502 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -8.919 3.555 -13.942 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -7.861 6.242 -11.947 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -4.778 3.499 -11.053 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -5.438 5.973 -10.948 1.00 0.00 H new ATOM 1114 N GLU A 76 -12.303 4.120 -13.510 1.00 0.00 N ATOM 1115 CA GLU A 76 -13.312 4.165 -14.606 1.00 0.00 C ATOM 1116 C GLU A 76 -13.942 5.558 -14.664 1.00 0.00 C ATOM 1117 O GLU A 76 -14.659 5.887 -15.588 1.00 0.00 O ATOM 1118 CB GLU A 76 -14.400 3.123 -14.339 1.00 0.00 C ATOM 1119 CG GLU A 76 -14.784 2.438 -15.652 1.00 0.00 C ATOM 1120 CD GLU A 76 -15.169 0.983 -15.378 1.00 0.00 C ATOM 1121 OE1 GLU A 76 -15.237 0.619 -14.215 1.00 0.00 O ATOM 1122 OE2 GLU A 76 -15.389 0.259 -16.334 1.00 0.00 O ATOM 0 H GLU A 76 -12.598 3.625 -12.668 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.826 3.948 -15.557 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.042 2.384 -13.622 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.274 3.600 -13.896 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.617 2.964 -16.118 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -13.950 2.478 -16.353 1.00 0.00 H new ATOM 1129 N THR A 77 -13.681 6.379 -13.684 1.00 0.00 N ATOM 1130 CA THR A 77 -14.265 7.750 -13.685 1.00 0.00 C ATOM 1131 C THR A 77 -13.139 8.782 -13.751 1.00 0.00 C ATOM 1132 O THR A 77 -12.854 9.339 -14.793 1.00 0.00 O ATOM 1133 CB THR A 77 -15.077 7.960 -12.404 1.00 0.00 C ATOM 1134 OG1 THR A 77 -14.646 7.035 -11.416 1.00 0.00 O ATOM 1135 CG2 THR A 77 -16.562 7.745 -12.697 1.00 0.00 C ATOM 0 H THR A 77 -13.089 6.160 -12.883 1.00 0.00 H new ATOM 0 HA THR A 77 -14.917 7.868 -14.551 1.00 0.00 H new ATOM 0 HB THR A 77 -14.926 8.976 -12.040 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.163 7.169 -10.595 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.138 7.895 -11.784 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.890 8.457 -13.454 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.718 6.730 -13.062 1.00 0.00 H new ATOM 1143 N ASP A 78 -12.496 9.044 -12.647 1.00 0.00 N ATOM 1144 CA ASP A 78 -11.388 10.040 -12.647 1.00 0.00 C ATOM 1145 C ASP A 78 -11.966 11.446 -12.819 1.00 0.00 C ATOM 1146 O ASP A 78 -13.132 11.617 -13.114 1.00 0.00 O ATOM 1147 CB ASP A 78 -10.432 9.738 -13.804 1.00 0.00 C ATOM 1148 CG ASP A 78 -9.024 10.213 -13.440 1.00 0.00 C ATOM 1149 OD1 ASP A 78 -8.692 10.174 -12.268 1.00 0.00 O ATOM 1150 OD2 ASP A 78 -8.302 10.606 -14.342 1.00 0.00 O ATOM 0 H ASP A 78 -12.690 8.611 -11.744 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.847 9.982 -11.702 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.424 8.668 -14.013 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.773 10.237 -14.711 1.00 0.00 H new ATOM 1155 N LYS A 79 -11.159 12.455 -12.637 1.00 0.00 N ATOM 1156 CA LYS A 79 -11.664 13.849 -12.790 1.00 0.00 C ATOM 1157 C LYS A 79 -11.112 14.450 -14.083 1.00 0.00 C ATOM 1158 O LYS A 79 -10.125 15.159 -14.079 1.00 0.00 O ATOM 1159 CB LYS A 79 -11.206 14.692 -11.598 1.00 0.00 C ATOM 1160 CG LYS A 79 -12.133 14.442 -10.408 1.00 0.00 C ATOM 1161 CD LYS A 79 -11.551 15.102 -9.158 1.00 0.00 C ATOM 1162 CE LYS A 79 -12.627 15.952 -8.479 1.00 0.00 C ATOM 1163 NZ LYS A 79 -13.587 15.062 -7.767 1.00 0.00 N ATOM 0 H LYS A 79 -10.173 12.375 -12.389 1.00 0.00 H new ATOM 0 HA LYS A 79 -12.753 13.839 -12.829 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.180 14.438 -11.332 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.214 15.749 -11.863 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.125 14.844 -10.616 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.251 13.371 -10.245 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.186 14.341 -8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.697 15.724 -9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.167 16.646 -7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.153 16.553 -9.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.319 15.639 -7.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.034 14.417 -8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.079 14.508 -7.049 1.00 0.00 H new ATOM 1177 N SER A 80 -11.740 14.172 -15.193 1.00 0.00 N ATOM 1178 CA SER A 80 -11.251 14.727 -16.487 1.00 0.00 C ATOM 1179 C SER A 80 -12.357 15.564 -17.132 1.00 0.00 C ATOM 1180 O SER A 80 -12.209 16.775 -17.171 1.00 0.00 O ATOM 1181 CB SER A 80 -10.871 13.578 -17.421 1.00 0.00 C ATOM 1182 OG SER A 80 -9.477 13.316 -17.300 1.00 0.00 O ATOM 1183 OXT SER A 80 -13.331 14.982 -17.577 1.00 0.00 O ATOM 0 H SER A 80 -12.571 13.584 -15.260 1.00 0.00 H new ATOM 0 HA SER A 80 -10.378 15.355 -16.308 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.444 12.685 -17.170 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.117 13.835 -18.451 1.00 0.00 H new ATOM 0 HG SER A 80 -9.230 12.579 -17.896 1.00 0.00 H new TER 1189 SER A 80